7 citations · 14 across the 8 of their papers we have counts for
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q-bio.BM2023★ 2 cited
Mitigating Molecular Aggregation in Drug Discovery with Predictive Insights from Explainable AI
Hunter Sturm, Jonas Teufel, Kaitlin A. Isfeld +2
Herein, we present the application of MEGAN, our explainable AI (xAI) model, for the identification of small colloidally aggregating molecules (SCAMs). This work offers solutions t…
cs.LG2023★ 1 cited
Quantifying the Intrinsic Usefulness of Attributional Explanations for Graph Neural Networks with Artificial Simulatability Studies
Jonas Teufel, Luca Torresi, Pascal Friederich
Despite the increasing relevance of explainable AI, assessing the quality of explanations remains a challenging issue. Due to the high costs associated with human-subject experimen…